2-(N-(2-ethylcyclohexyl)anilino)acetic acid

C16H23NO2 — CID 63861803

IUPAC2-(N-(2-ethylcyclohexyl)anilino)acetic acid
SMILESCCC1CCCCC1N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-13-8-6-7-11-15(13)17(12-16(18)19)14-9-4-3-5-10-14/h3-5,9-10,13,15H,2,6-8,11-12H2,1H3,(H,18,19)
InChIKeyWUVDQIYCAOANSA-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.55
Rot. Bonds5

About 2-(N-(2-ethylcyclohexyl)anilino)acetic acid

2-(N-(2-ethylcyclohexyl)anilino)acetic acid (PubChem CID 63861803) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(N-(2-ethylcyclohexyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-ethylcyclohexyl)anilino)acetic acid
PubChem CID63861803
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(N-(2-ethylcyclohexyl)anilino)acetic acid
SMILESCCC1CCCCC1N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-13-8-6-7-11-15(13)17(12-16(18)19)14-9-4-3-5-10-14/h3-5,9-10,13,15H,2,6-8,11-12H2,1H3,(H,18,19)
InChIKeyWUVDQIYCAOANSA-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-(2-ethylcyclohexyl)anilino)propanethioamide
CID 63863592
3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid
CID 63861972
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
2-(3-chloro-N-(2-hydroxycyclopentyl)anilino)acetic acid
CID 60883963
cis-(1S,2S)-N-diphenylphosphanyl-2-ethyl-N-methylcyclohexan-1-amine
CID 158995956
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid
CID 60838152
4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline
CID 63862471
2-N-(2-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63861614

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-ethylcyclohexyl)anilino)acetic acid?
The IUPAC name of 2-(N-(2-ethylcyclohexyl)anilino)acetic acid (CID 63861803) is 2-(N-(2-ethylcyclohexyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(2-ethylcyclohexyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(2-ethylcyclohexyl)anilino)acetic acid is CCC1CCCCC1N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(2-ethylcyclohexyl)anilino)acetic acid?
The InChIKey is WUVDQIYCAOANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13-8-6-7-11-15(13)17(12-16(18)19)14-9-4-3-5-10-14/h3-5,9-10,13,15H,2,6-8,11-12H2,1H3,(H,18,19).
What are the key properties of 2-(N-(2-ethylcyclohexyl)anilino)acetic acid?
2-(N-(2-ethylcyclohexyl)anilino)acetic acid has a molecular weight of 261.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-ethylcyclohexyl)anilino)acetic acid is sourced from PubChem (CID 63861803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).